| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:54 UTC |
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| Update Date | 2025-03-25 00:53:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198732 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O7 |
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| Molecular Mass | 310.1053 |
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| SMILES | COc1ccc(CCC(=O)OC(CCC(=O)O)C(=O)O)cc1 |
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| InChI Key | JRWXENOZQLTQIZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidtricarboxylic acid or derivativesalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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